Search

Naturally occurring metal surfaces possess planes of mirror symmetry on the nanometer-length scale. This mirror symmetry can be lifted and chirality “physically” conveyed onto a surface by adsorbin...

An electronic absorption spectrum of FO has yet to be observed experimentally but as a guide for future spectroscopic studies of this radical, CASSCF/MRCI ab initio calculations have been performed to locate and identify the lowest energy valence and Rydberg states. No bound valence excited potentials were found save the a4Σ- state. The calculations provide estimates of the transition energies Te to the lowest Rydberg states and the wavelengths required for spectroscopic detection. Results for both the doublet and quartet states are presented, revealing the 3sσ, 3pπ, 3pσ, 3dδ, 4sσ, 3dπ, and 4dδ Rydberg orbitals. It is likely that the repulsive valence states 12Σ- and 12Δ predissociate the lowest Rydberg states of the same symmetry. Consequently, the 2Π Rydberg states, three of which are found here, are the most promising candidates for optical detection.

Fragmentation of the first and second electronically excited states of methyl chloride and bromide cations has been studied, the ground state of each molecular ion being stable to dissociation. Product branching ratios and kinetic energy release upon dissociation were investigated using He I photoelectron-photoion coincidence (PEPICO) measurements. The principal fragmentation of the excited states is a C-X bond cleavage. Both excited states of the ion CH 3 Br + follow essentially statistical routes in this channel, though small deviations from a fully randomized distribution are noted and these become more marked for vibrationally excited A-state parent